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Currently displaying 2501 - 2520 of 29639 publications

Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath.

A Prada, ES Pós, SC Althorpe

J Chem Phys

(2023)

158

114106

(doi: 10.1063/5.0138250)

Pantothenate biosynthesis in Toxoplasma gondii tachyzoites is not a drug target

VM Howieson, J Zeng, J Kloehn, C Spry, C Marchetti, M Lunghi, E Varesio, A Soper, AG Coyne, C Abell, GG van Dooren, KJ Saliba

International Journal for Parasitology Drugs and Drug Resistance

(2023)

(doi: 10.1016/j.ijpddr.2023.03.003)

Direct Calculation of the Interfacial Free Energy between NaCl Crystal and Its Aqueous Solution at the Solubility Limit.

I Sanchez-Burgos, JR Espinosa

Physical Review Letters

(2023)

130

118001

(doi: 10.1103/PhysRevLett.130.118001)

Scalable Palladium-Catalyzed C(sp3)–H Carbonylation of Alkylamines in Batch and Continuous Flow

J Zakrzewski, P Yaseneva, CJ Taylor, MJ Gaunt, AA Lapkin

Organic Process Research & Development

(2023)

649

(doi: 10.1021/acs.oprd.2c00378)

Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm

DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin

The journal of physical chemistry. A

(2023)

127

2628

(doi: 10.1021/acs.jpca.2c08250)

Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b

L Hosseini-Gerami, E Ficulle, N Humphryes-Kirilov, DC Airey, J Scherschel, S Kananathan, BJ Eastwood, S Bose, DA Collier, E Laing, D Evans, H Broughton, A Bender

Alzheimer's Research & Therapy

(2023)

(doi: 10.1186/s13195-023-01182-0)

Triplet-encoded prebiotic RNA aminoacylation

M Su, C Schmitt, Z Liu, SJ Roberts, KC Liu, K Röder, A Jäschke, DJ Wales, JD Sutherland

(2023)

(doi: 10.1101/2023.03.13.532408)

A Double-Walled Tetrahedron with Ag^I₄ Vertices Binds Different Guests in Distinct Sites

SE Clark, AW Heard, CT McTernan, TK Ronson, B Rossi, P Rozhin, S Marchesan, JR Nitschke

Angew Chem Int Ed Engl

(2023)

e202301612

(doi: 10.1002/anie.202301612)

Chemical Validation of Mycobacterium tuberculosis Phosphopantetheine Adenylyltransferase Using Fragment Linking and CRISPR Interference.

J El Bakali, M Blaszczyk, JC Evans, JA Boland, WJ McCarthy, I Fathoni, MVB Dias, EO Johnson, AG Coyne, V Mizrahi, TL Blundell, C Abell, C Spry

Angewandte Chemie International Edition

(2023)

e202300221

(doi: 10.1002/anie.202300221)

Mechanisms of adsorbing hydrogen gas on metal decorated graphene

YS Al-Hamdani, A Zen, A Michaelides, D Alfè

Physical Review Materials

(2023)

035402

(doi: 10.1103/physrevmaterials.7.035402)

Modulating Nucleic Acid Phase Transitions as a Mechanism of Action for Cell-Penetrating Antimicrobial Peptides

T Sneideris, NA Erkamp, H Ausserwöger, KL Saar, TJ Welsh, D Qian, MLLY Johncock, G Krainer, A Borodavka, TPJ Knowles

(2023)

(doi: 10.1101/2023.03.11.532143)

Phase separation and molecular ordering of the prion-like domain of the thermosensory protein EARLY FLOWERING 3

S Hutin, JR Kumita, VI Strotmann, A Dolata, WL Ling, N Louafi, A Popov, P-E Milhiet, M Blackledge, MH Nanao, PA Wigge, Y Stahl, L Costa, MD Tully, C Zubieta

(2023)

(doi: 10.1101/2023.03.12.532276)